N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide

C20H23Br2NO2 — CID 19229080

IUPACN-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
SMILESCc1cc(Br)ccc1NC(=O)CCCOc1ccc(C(C)C)cc1Br
InChIInChI=1S/C20H23Br2NO2/c1-13(2)15-6-9-19(17(22)12-15)25-10-4-5-20(24)23-18-8-7-16(21)11-14(18)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24)
InChIKeySYUHSKAGGRYNQX-UHFFFAOYSA-N
MW469.22 g/mol
LogP6.44
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide

N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide (PubChem CID 19229080) has the molecular formula C20H23Br2NO2 and a molecular weight of 469.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
PubChem CID19229080
Molecular FormulaC20H23Br2NO2
Molecular Weight469.22 g/mol
Exact Mass467.01
IUPAC NameN-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
SMILESCc1cc(Br)ccc1NC(=O)CCCOc1ccc(C(C)C)cc1Br
InChIInChI=1S/C20H23Br2NO2/c1-13(2)15-6-9-19(17(22)12-15)25-10-4-5-20(24)23-18-8-7-16(21)11-14(18)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24)
InChIKeySYUHSKAGGRYNQX-UHFFFAOYSA-N
XLogP6.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.22
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206365
4-(2-bromo-4-propan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19206295
4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 19206202
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide
CID 19206246
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19206218
N-(4-acetylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206321
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19206206
4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide
CID 19206333
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 19206346
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19206305
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19206319
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3-chlorophenyl)butanamide
CID 19206243

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide (CID 19229080) is N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide is Cc1cc(Br)ccc1NC(=O)CCCOc1ccc(C(C)C)cc1Br.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide?
The InChIKey is SYUHSKAGGRYNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Br2NO2/c1-13(2)15-6-9-19(17(22)12-15)25-10-4-5-20(24)23-18-8-7-16(21)11-14(18)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,23,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide?
N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide has a molecular weight of 469.22 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 19229080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).